SCHEMBL3335357

SCHEMBL3335357

FC(F)(F)OCCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 1/20 0.41
NAAA Q02083 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL816968 1.00 L3MBTL1 (0.50) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL22346842 0.87 TSHR (0.54) L3MBTL1TDP1TSHRNAAA
SCHEMBL23227683 0.85 TSHR (0.52) L3MBTL1TDP1TSHRNAAA
SCHEMBL4235184 0.85 TSHR (0.48) L3MBTL1TDP1TSHR
SCHEMBL9011715 0.84 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL9011624 0.84 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL9011646 0.84 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL9011734 0.84 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL25195898 0.82 TSHR (0.64) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2640223 0.82 TSHR (0.70) L3MBTL1TDP1TSHRHRH4HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008358-B2 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier MERCK PATENT GMBH (DE) 2011-08-30 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
EP-2035131-A2 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
US-20080149878-A1 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
WO-2008003446-A2 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080149878-A1 having terminal pentafluorosulfuranyl group or terminal trifluoromethoxy group and also a polar end group; fully degradable substitutes for perfluorinated surfactants; paint, fire-extinguishing composition, lubricant, cleaner, deicer, hydrophobicising for textile finishing or glass treatment; emulsifier FFAR3, PFAS, FGR L3MBTL1 426/4885TDP1 798/4885TSHR 178/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 L3MBTL1 4650/4885TDP1 4767/4885TSHR 886/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.